KEGG   DRUG: Vindesine sulfate
Entry
D01769                      Drug                                   
Name
Vindesine sulfate (JAN/USAN);
Fildesin (TN)
Formula
C43H55N5O7. H2SO4
Exact mass
851.3775
Mol weight
852.0046
Structure
Simcomp
Class
Antineoplastic
 DG01965  Vinca alkaloid antineoplastic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 4240
ATC code: L01CA03
Chemical structure group: DG00691
Product (DG00691): D01769<JP>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Semisynthetic vinblastine derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CA Vinca alkaloids and analogues
     L01CA03 Vindesine
      D01769  Vindesine sulfate (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D01769  Vindesine sulfate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00691  Vindesine
    D01769  Vindesine sulfate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00691  Vindesine
    D01769  Vindesine sulfate
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D01769  Vindesine sulfate (JAN/USAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01769
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00691  Vindesine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00691  Vindesine
Other DBs
CAS: 59917-39-4
PubChem: 7848832
ChEBI: 32295
LigandBox: D01769
NIKKAJI: J277.863G J300.718I
LinkDB
KCF data

ATOM        60
            1   S4a S    35.2967  -18.7069
            2   O1d O    35.2898  -17.3138
            3   O1d O    35.2898  -20.1001
            4   O1d O    36.6898  -18.7069
            5   O1d O    33.9036  -18.7000
            6   C1z C    32.4769  -23.9191
            7   C1y C    33.6075  -23.2524
            8   C1y C    32.4827  -25.2239
            9   C8y C    30.2271  -23.9191
            10  C1x C    31.6420  -22.8407
            11  C1z C    34.7500  -23.9134
            12  N1y N    33.5959  -21.9303
            13  C1z C    33.6191  -25.8733
            14  N1y N    31.3462  -25.8733
            15  C8y C    30.2271  -25.2239
            16  C8x C    29.0905  -23.2697
            17  C1x C    32.3030  -21.9250
            18  C1y C    34.6916  -25.2297
            19  C2x C    35.8807  -23.2408
            20  C1b C    35.8459  -24.5455
            21  C1x C    34.7441  -21.2693
            22  C5a C    34.5122  -27.0521
            23  O1a O    33.1263  -27.7753
            24  C1a C    31.3326  -27.2491
            25  C8x C    29.0905  -25.8792
            26  C8y C    27.9830  -23.9134
            27  O1a O    37.1932  -26.0776
            28  C2x C    35.8864  -21.9187
            29  C1a C    36.9591  -23.9077
            30  N1a N    34.5014  -28.3220
            31  C8y C    27.9830  -25.2239
            32  C1z C    25.5581  -21.7439
            33  O2a O    26.8697  -25.8617
            34  C8y C    24.4333  -20.9843
            35  C1x C    26.8221  -21.0076
            36  C7a C    25.1986  -23.0429
            37  C1a C    25.7565  -25.2122
            38  C8y C    24.4333  -19.6391
            39  N4x N    23.3083  -21.6570
            40  C1y C    26.8221  -19.7203
            41  O7a O    23.7607  -23.5010
            42  O6a O    26.0277  -24.0751
            43  C8y C    22.1196  -19.6391
            44  C1x C    23.7084  -18.5373
            45  C8y C    22.1196  -20.9843
            46  C1x C    25.6857  -19.1057
            47  C1x C    27.9060  -18.9027
            48  C1a C    22.8908  -24.9216
            49  C8x C    20.9773  -18.9724
            50  C1x C    24.4795  -17.5516
            51  C8x C    20.9773  -21.6570
            52  N1y N    25.6857  -17.8647
            53  C1z C    27.9471  -17.7605
            54  C8x C    19.8988  -19.6391
            55  C8x C    19.8988  -20.9843
            56  C1x C    26.8164  -17.1110
            57  C1b C    29.4548  -18.2881
            58  O1a O    28.7879  -16.4673
            59  C1a C    30.5158  -17.6503
            60  O5a O    35.8176  -26.5198
BOND        67
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 1
            6     6   8 1
            7     6   9 1
            8     6  10 1 #Up
            9     7  11 1
            10    7  12 1
            11    8  13 1
            12    8  14 1
            13    9  15 2
            14    9  16 1
            15   10  17 1
            16   11  18 1
            17   11  19 1
            18   11  20 1 #Down
            19   12  21 1
            20   13  22 1 #Down
            21   13  23 1 #Up
            22   14  24 1
            23   15  25 1
            24   16  26 2
            25   18  27 1 #Up
            26   19  28 2
            27   20  29 1
            28   22  30 1
            29   25  31 2
            30   32  26 1 #Down
            31   31  33 1
            32   32  34 1
            33   32  35 1
            34   32  36 1 #Up
            35   33  37 1
            36   34  38 2
            37   34  39 1
            38   35  40 1
            39   36  41 1
            40   36  42 2
            41   38  43 1
            42   38  44 1
            43   39  45 1
            44   40  46 1 #Down
            45   40  47 1
            46   41  48 1
            47   43  49 1
            48   44  50 1
            49   45  51 1
            50   52  46 1 #Down
            51   47  53 1
            52   49  54 2
            53   51  55 2
            54   52  56 1
            55   53  57 1 #Down
            56   53  58 1 #Up
            57   57  59 1
            58   12  17 1
            59   13  18 1
            60   14  15 1
            61   21  28 1
            62   26  31 1
            63   43  45 2
            64   50  52 1
            65   53  56 1
            66   54  55 1
            67   22  60 2

» Japanese version   » Back

KEGG   DRUG: Vindesine
Entry
D06304                      Drug                                   
Name
Vindesine (USAN/INN)
Formula
C43H55N5O7
Exact mass
753.4101
Mol weight
753.9261
Structure
Simcomp
Class
Antineoplastic
 DG01965  Vinca alkaloid antineoplastic
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01CA03
Chemical structure group: DG00691
Product (DG00691): D01769<JP>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Comment
Semisynthetic vinblastine derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CA Vinca alkaloids and analogues
     L01CA03 Vindesine
      D06304  Vindesine (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00691  Vindesine
    D06304  Vindesine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00691  Vindesine
    D06304  Vindesine
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D06304  Vindesine (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06304
Drug groups [BR:br08330]
 Antineoplastic
  DG01965  Vinca alkaloid antineoplastic
   DG00691  Vindesine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00691  Vindesine
Other DBs
CAS: 53643-48-4
PubChem: 47207961
LigandBox: D06304
NIKKAJI: J24.547J
LinkDB
KCF data

ATOM        55
            1   C1z C    22.0469  -23.5691
            2   C1y C    23.1775  -22.9024
            3   C1y C    22.0527  -24.8739
            4   C8y C    19.7971  -23.5691
            5   C1x C    21.2120  -22.4907
            6   C1z C    24.3200  -23.5634
            7   N1y N    23.1659  -21.5803
            8   C1z C    23.1891  -25.5233
            9   N1y N    20.9162  -25.5233
            10  C8y C    19.7971  -24.8739
            11  C8x C    18.6605  -22.9197
            12  C1x C    21.8730  -21.5750
            13  C1y C    24.2616  -24.8797
            14  C2x C    25.4507  -22.8908
            15  C1b C    25.4159  -24.1955
            16  C1x C    24.3141  -20.9193
            17  C5a C    24.0822  -26.7021
            18  O1a O    22.6963  -27.4253
            19  C1a C    20.9026  -26.8991
            20  C8x C    18.6605  -25.5292
            21  C8y C    17.5530  -23.5634
            22  O1a O    26.7632  -25.7276
            23  C2x C    25.4564  -21.5687
            24  C1a C    26.5291  -23.5577
            25  N1a N    24.0714  -27.9720
            26  C8y C    17.5530  -24.8739
            27  C1z C    15.1281  -21.3939
            28  O2a O    16.4397  -25.5117
            29  C8y C    14.0033  -20.6343
            30  C1x C    16.3921  -20.6576
            31  C7a C    14.7686  -22.6929
            32  C1a C    15.3265  -24.8622
            33  C8y C    14.0033  -19.2891
            34  N4x N    12.8783  -21.3070
            35  C1y C    16.3921  -19.3703
            36  O7a O    13.3307  -23.1510
            37  O6a O    15.5977  -23.7251
            38  C8y C    11.6896  -19.2891
            39  C1x C    13.2784  -18.1873
            40  C8y C    11.6896  -20.6343
            41  C1x C    15.2557  -18.7557
            42  C1x C    17.4760  -18.5527
            43  C1a C    12.4608  -24.5716
            44  C8x C    10.5473  -18.6224
            45  C1x C    14.0495  -17.2016
            46  C8x C    10.5473  -21.3070
            47  N1y N    15.2557  -17.5147
            48  C1z C    17.5171  -17.4105
            49  C8x C     9.4688  -19.2891
            50  C8x C     9.4688  -20.6343
            51  C1x C    16.3864  -16.7610
            52  C1b C    19.0248  -17.9381
            53  O1a O    18.3579  -16.1173
            54  C1a C    20.0858  -17.3003
            55  O5a O    25.3876  -26.1698
BOND        63
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16    8  17 1 #Down
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   11  21 2
            21   13  22 1 #Up
            22   14  23 2
            23   15  24 1
            24   17  25 1
            25   20  26 2
            26   27  21 1 #Down
            27   26  28 1
            28   27  29 1
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1
            32   29  33 2
            33   29  34 1
            34   30  35 1
            35   31  36 1
            36   31  37 2
            37   33  38 1
            38   33  39 1
            39   34  40 1
            40   35  41 1 #Down
            41   35  42 1
            42   36  43 1
            43   38  44 1
            44   39  45 1
            45   40  46 1
            46   47  41 1 #Down
            47   42  48 1
            48   44  49 2
            49   46  50 2
            50   47  51 1
            51   48  52 1 #Down
            52   48  53 1 #Up
            53   52  54 1
            54    7  12 1
            55    8  13 1
            56    9  10 1
            57   16  23 1
            58   21  26 1
            59   38  40 2
            60   45  47 1
            61   48  51 1
            62   49  50 1
            63   17  55 2

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